General Information of the Compound
| Compound ID |
CP0409547
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| Compound Name |
6-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C37H41N5O4
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| Molecular Weight |
619.766
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C37H41N5O4/c1-3-19-41-32-25-31(38-34(32)36(44)42(20-4-2)37(41)45)27-15-17-30(18-16-27)46-26-33(43)39-21-23-40(24-22-39)35(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,25,35,38H,3-4,19-24,26H2,1-2H3
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| InChIKey |
WSKCJGRELCVAAA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b